N-methyl-3-nitro-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzenesulfonamide

Systemtic Name: N-methyl-3-nitro-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzenesulfonamide Openeye Name: N-methyl-3-nitro-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzenesulfonamide CAS Name: N-methyl-3-nitro-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]benzenesulfonamide IUPAC Name: N-methyl-3-nitro-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzenesulfonamide Traditional Name: N-methyl-3-nitro-4-(4-pyridin-1-ium-2-ylpiperazino)benzenesulfonamide Formula: C16H20N5O4S+ MolecularWeight: 378.4261

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O4S/c1-17-26(24,25)13-5-6-14(15(12-13)21(22)23)19-8-10-20(11-9-19)16-4-2-3-7-18-16/h2-7,12,17H,8-11H2,1H3/p+1